#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml s SER 2 N 0.00 6.27 0.01 1.61 0.01 -1.26 -5.00 113.70 115.33 2dml s SER 2 Ca 0.00 -2.63 -0.11 0.00 1.31 0.00 0.00 55.95 54.52 2dml s SER 2 Cb 0.00 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.14 2dml s SER 2 CO 0.00 -0.55 0.23 -0.55 0.41 0.00 0.00 173.24 172.78 2dml s SER 3 N 1.90 -0.07 0.00 2.44 0.15 -1.26 -4.98 113.70 111.88 2dml s SER 3 Ca 0.16 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dml s SER 3 Cb -0.15 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2dml s SER 3 CO -0.06 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2dml n GLY 4 N 1.12 1.92 3.67 9.45 0.00 -1.26 -4.82 105.19 115.26 2dml n GLY 4 Ca -0.21 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 2dml n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dml n SER 5 N 4.03 -4.73 -4.95 1.61 7.64 -1.26 -4.99 113.62 110.98 2dml n SER 5 Ca 0.00 -0.65 -0.24 0.00 1.01 0.00 0.00 58.87 59.00 2dml n SER 5 Cb 0.00 -4.64 0.05 0.00 -1.01 0.00 0.00 64.21 58.61 2dml n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dml s SER 6 N -3.59 5.12 -0.06 6.43 1.04 -1.26 -5.05 113.70 116.33 2dml s SER 6 Ca 0.45 0.27 -0.13 0.00 0.48 0.00 0.00 55.95 57.03 2dml s SER 6 Cb -0.21 -1.08 -0.08 0.00 0.10 0.00 0.00 66.02 64.75 2dml s SER 6 CO 0.77 -1.32 0.52 1.23 0.98 0.00 0.00 173.24 175.41 2dml h GLY 7 N -0.24 -0.31 -3.90 7.32 0.00 -2.04 -3.48 103.07 100.42 2dml h GLY 7 Ca -0.44 0.12 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 2dml h GLY 7 CO 0.57 -0.11 -0.70 0.00 0.00 0.00 0.00 176.54 176.30 2dml s ALA 8 N -3.42 0.50 0.14 3.60 0.00 -1.26 -5.17 121.76 116.15 2dml s ALA 8 Ca -0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2dml s ALA 8 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2dml s ALA 8 CO 0.25 -0.24 0.13 0.14 0.00 0.00 0.00 175.76 176.04 2dml s VAL 9 N -2.82 0.09 0.17 0.00 -7.23 -1.26 -5.17 120.40 104.17 2dml s VAL 9 Ca -0.01 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2dml s VAL 9 Cb -0.00 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2dml s VAL 9 CO -0.05 -0.39 0.29 -0.94 -0.31 0.00 0.00 175.10 173.70 2dml s SER 10 N -3.03 6.31 0.00 4.85 1.04 -1.26 -5.09 113.70 116.53 2dml s SER 10 Ca 0.23 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2dml s SER 10 Cb 0.06 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2dml s SER 10 CO 0.02 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2dml n GLY 11 N -0.70 2.57 0.11 7.32 0.00 -1.26 -5.04 105.19 108.19 2dml n GLY 11 Ca -0.07 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 2dml n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dml h LEU 12 N 0.00 0.25-10.06 0.99 3.38 -1.97 -3.43 115.31 104.47 2dml h LEU 12 Ca 0.00 -0.07 -0.46 0.00 0.09 0.00 0.00 57.88 57.44 2dml h LEU 12 Cb 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dml h LEU 12 CO 0.00 0.24 0.37 -0.31 0.09 0.00 0.00 178.44 178.83 2dml s TYR 13 N -5.93 3.13 0.44 1.13 1.51 -1.26 -5.07 117.35 111.30 2dml s TYR 13 Ca -0.13 1.60 0.06 0.00 -1.01 0.00 0.00 57.07 57.58 2dml s TYR 13 Cb 0.08 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 2dml s TYR 13 CO 0.70 -0.55 0.08 -1.12 -1.11 0.00 0.00 175.55 173.55 2dml s SER 14 N -2.02 4.12 0.23 2.29 0.01 -1.26 -5.04 113.70 112.04 2dml s SER 14 Ca 0.65 -1.34 0.10 0.00 1.31 0.00 0.00 55.95 56.67 2dml s SER 14 Cb -0.14 -0.19 0.19 0.00 0.21 0.00 0.00 66.02 66.10 2dml s SER 14 CO 0.18 -0.60 1.51 0.28 0.41 0.00 0.00 173.24 175.02 2dml h SER 15 N 1.53 0.00 -0.17 2.44 0.02 -1.98 -3.26 113.55 112.13 2dml h SER 15 Ca -0.43 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 2dml h SER 15 Cb 1.26 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2dml h SER 15 CO 0.75 0.71 -0.03 -1.28 -1.14 0.00 0.00 176.83 175.84 2dml h SER 16 N 0.00 -0.13 -1.96 3.07 0.87 -1.96 -3.43 113.55 110.01 2dml h SER 16 Ca -0.01 0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.40 2dml h SER 16 Cb 1.30 0.09 0.12 0.00 -0.44 0.00 0.00 62.40 63.47 2dml h SER 16 CO 0.09 -0.04 -0.09 0.47 -0.53 0.00 0.00 176.83 176.73 2dml n ASP 17 N -5.16 -3.05 0.08 6.23 8.00 -1.23 -4.90 116.55 116.51 2dml n ASP 17 Ca -0.03 -0.47 0.12 0.00 0.71 0.00 0.00 54.79 55.12 2dml n ASP 17 Cb 0.10 -0.68 0.14 0.00 -0.02 0.00 0.00 41.12 40.66 2dml n ASP 17 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2dml h ASP 18 N -2.82 0.00 -3.13 -2.24 5.19 -1.86 -3.46 116.42 108.09 2dml h ASP 18 Ca -0.21 -0.14 -0.53 0.00 -0.62 0.00 0.00 57.03 55.53 2dml h ASP 18 Cb 0.71 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.25 2dml h ASP 18 CO 0.13 0.07 0.71 -0.69 -3.12 0.00 0.00 179.24 176.33 2dml s VAL 19 N -3.22 3.23 -0.23 -1.35 1.01 -1.26 -4.83 120.40 113.75 2dml s VAL 19 Ca 0.05 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 2dml s VAL 19 Cb 0.12 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2dml s VAL 19 CO 0.73 0.10 0.63 -0.63 0.00 0.00 0.00 175.10 175.92 2dml s ILE 20 N 0.75 5.00 -0.68 2.22 1.01 -0.92 -4.78 121.20 123.81 2dml s ILE 20 Ca 0.62 1.16 -0.26 0.00 0.00 0.00 0.00 60.65 62.17 2dml s ILE 20 Cb -0.37 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 2dml s ILE 20 CO 0.33 0.07 2.03 -0.70 0.00 0.00 0.00 174.94 176.67 2dml s GLU 21 N 2.21 2.42 0.10 2.79 -6.30 -1.26 -1.77 118.70 116.89 2dml s GLU 21 Ca 0.27 0.52 -0.28 0.00 -2.50 0.00 0.00 54.97 52.98 2dml s GLU 21 Cb -0.16 -4.63 -0.06 0.00 0.00 0.00 0.00 34.13 29.29 2dml s GLU 21 CO 0.09 -3.15 0.88 -0.51 0.02 0.00 0.00 175.26 172.59 2dml s LEU 22 N 10.42 4.50 0.15 2.70 1.43 -1.05 -4.93 118.68 131.89 2dml s LEU 22 Ca 0.76 1.67 0.04 0.00 -1.03 0.00 0.00 54.13 55.56 2dml s LEU 22 Cb -0.12 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2dml s LEU 22 CO 0.15 -0.01 -0.07 0.42 0.23 0.00 0.00 176.35 177.07 2dml s THR 23 N -0.15 1.01 -1.24 5.49 -4.23 -1.26 -4.46 115.64 110.79 2dml s THR 23 Ca 0.43 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2dml s THR 23 Cb -0.22 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2dml s THR 23 CO 0.27 -0.67 0.30 -0.81 -0.54 0.00 0.00 174.62 173.18 2dml n PRO 24 N -0.21 0.49 0.00 3.99 -0.04 -1.26 0.44 135.00 138.41 2dml n PRO 24 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 24 Cb 0.61 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2dml n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 25 N 0.07 4.76 0.00 3.54 7.64 -1.26 -4.77 113.62 123.60 2dml n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dml n SER 25 Cb 0.09 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2dml n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dml n ASN 26 N -1.56 1.46 -0.45 6.43 6.94 -0.83 -4.74 115.26 122.51 2dml n ASN 26 Ca 0.00 -0.20 0.40 0.00 -0.02 0.00 0.00 54.58 54.76 2dml n ASN 26 Cb 0.12 0.69 0.61 0.00 -2.36 0.00 0.00 39.78 38.84 2dml n ASN 26 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2dml n PHE 27 N -0.84 0.00 0.01 -2.53 -0.00 0.17 0.17 117.46 114.44 2dml n PHE 27 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.23 2dml n PHE 27 Cb 0.00 -0.37 -0.14 0.00 -0.00 0.00 0.00 39.48 38.98 2dml n PHE 27 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2dml h ASN 28 N 0.00 0.40 0.58 -2.13 -1.24 -1.85 -1.95 115.58 109.40 2dml h ASN 28 Ca 0.70 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 56.82 2dml h ASN 28 Cb 3.27 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 42.18 2dml h ASN 28 CO -0.01 1.76 -0.00 0.54 -1.29 0.00 0.00 177.43 178.43 2dml n ARG 29 N -3.69 0.42 -0.08 6.67 3.00 0.46 0.25 116.66 123.67 2dml n ARG 29 Ca -0.29 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.39 2dml n ARG 29 Cb 0.99 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.88 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dml n GLU 30 N -1.29 0.38 -0.03 5.56 -0.58 0.35 -4.58 120.64 120.46 2dml n GLU 30 Ca 0.14 0.13 -0.04 0.00 -0.42 0.00 0.00 57.16 56.97 2dml n GLU 30 Cb 0.25 -1.21 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 2dml n GLU 30 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dml n VAL 31 N -3.40 0.77 -0.28 2.62 0.31 -0.75 -4.27 118.33 113.33 2dml n VAL 31 Ca -0.31 0.29 0.27 0.00 -0.01 0.00 0.00 64.34 64.58 2dml n VAL 31 Cb 0.77 -1.84 0.62 0.00 -0.91 0.00 0.00 33.84 32.49 2dml n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dml h ILE 32 N -0.44 0.52 -0.82 2.52 1.08 -1.19 0.63 117.51 119.82 2dml h ILE 32 Ca 0.00 -0.07 -0.43 0.00 -0.39 0.00 0.00 64.86 63.97 2dml h ILE 32 Cb 0.44 0.31 -0.25 0.00 -3.07 0.00 0.00 36.82 34.24 2dml h ILE 32 CO 0.00 0.04 0.55 0.00 -0.69 0.00 0.00 178.15 178.05 2dml n GLN 33 N -4.41 2.05 -3.61 2.37 1.13 0.68 -4.70 117.38 110.88 2dml n GLN 33 Ca 0.23 -2.47 -0.29 0.00 -1.94 0.00 0.00 57.00 52.53 2dml n GLN 33 Cb 0.97 -1.97 -0.12 0.00 0.11 0.00 0.00 30.24 29.22 2dml n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2dml s SER 34 N -0.89 3.32 0.49 1.08 0.15 0.22 -4.82 113.70 113.24 2dml s SER 34 Ca 0.47 -2.54 0.35 0.00 0.70 0.00 0.00 55.95 54.94 2dml s SER 34 Cb 0.39 -0.80 1.50 0.00 -1.71 0.00 0.00 66.02 65.40 2dml s SER 34 CO 0.08 -0.27 1.67 0.44 1.20 0.00 0.00 173.24 176.36 2dml h ASP 35 N 6.73 0.15 -0.11 5.45 3.32 -1.84 -3.40 116.42 126.72 2dml h ASP 35 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2dml h ASP 35 Cb 0.94 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2dml h ASP 35 CO 0.41 -0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 2dml n GLY 36 N -1.68 -3.21 3.89 2.75 0.00 -1.26 -4.95 105.19 100.74 2dml n GLY 36 Ca 0.35 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2dml n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dml s LEU 37 N 0.00 4.38 -0.05 0.99 2.96 -1.26 -4.63 118.68 121.07 2dml s LEU 37 Ca 0.00 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2dml s LEU 37 Cb 0.00 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.36 2dml s LEU 37 CO 0.00 0.34 -0.07 0.26 -1.32 0.00 0.00 176.35 175.56 2dml s TRP 38 N -1.18 1.00 -0.43 5.38 0.52 -0.30 -1.81 118.94 122.13 2dml s TRP 38 Ca 0.21 -0.33 -0.06 0.00 0.02 0.00 0.00 56.10 55.94 2dml s TRP 38 Cb -0.12 -0.82 0.11 0.00 -1.15 0.00 0.00 33.47 31.48 2dml s TRP 38 CO 0.11 -0.24 0.25 -0.51 0.02 0.00 0.00 176.95 176.59 2dml s LEU 39 N 0.90 5.32 -0.19 2.99 1.43 0.14 -0.10 118.68 129.18 2dml s LEU 39 Ca -0.11 -1.88 -0.09 0.00 -1.03 0.00 0.00 54.13 51.02 2dml s LEU 39 Cb -0.15 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2dml s LEU 39 CO 0.01 -0.58 0.12 -0.69 0.23 0.00 0.00 176.35 175.43 2dml s VAL 40 N 1.26 5.28 -0.19 -1.59 1.01 -0.75 -1.41 120.40 124.01 2dml s VAL 40 Ca 0.06 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2dml s VAL 40 Cb -0.24 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2dml s VAL 40 CO -0.02 0.46 -0.18 -0.70 0.00 0.00 0.00 175.10 174.66 2dml s GLU 41 N 0.24 2.82 -0.67 2.72 2.12 -1.26 -0.12 118.70 124.55 2dml s GLU 41 Ca 0.08 -0.92 -0.23 0.00 0.36 0.00 0.00 54.97 54.26 2dml s GLU 41 Cb -0.11 -2.61 0.06 0.00 0.26 0.00 0.00 34.13 31.73 2dml s GLU 41 CO -0.01 -0.28 1.02 -0.06 -0.54 0.00 0.00 175.26 175.40 2dml s PHE 42 N 1.26 2.60 0.51 5.30 0.40 0.11 -2.43 117.98 125.73 2dml s PHE 42 Ca 0.02 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 2dml s PHE 42 Cb -0.14 -4.35 0.02 0.00 0.51 0.00 0.00 43.02 39.06 2dml s PHE 42 CO -0.11 -1.72 0.36 1.52 0.70 0.00 0.00 175.22 175.97 2dml s TYR 43 N 4.38 1.91 -0.07 0.36 -0.85 -1.06 -1.65 117.35 120.38 2dml s TYR 43 Ca 0.25 -0.76 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 2dml s TYR 43 Cb -0.15 -1.95 0.03 0.00 0.38 0.00 0.00 41.96 40.26 2dml s TYR 43 CO 0.12 -0.33 -0.01 0.00 -1.52 0.00 0.00 175.55 173.81 2dml s ALA 44 N -2.71 0.72 -2.00 9.51 0.00 -1.26 -0.47 121.76 125.55 2dml s ALA 44 Ca 0.36 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.25 2dml s ALA 44 Cb -0.02 -0.69 0.31 0.00 0.00 0.00 0.00 23.12 22.73 2dml s ALA 44 CO 0.22 -0.38 0.78 -0.35 0.00 0.00 0.00 175.76 176.03 2dml n PRO 45 N 4.94 0.49 -0.00 0.00 -0.04 -1.26 -1.98 135.00 137.15 2dml n PRO 45 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 45 Cb 0.50 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 2dml n PRO 45 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dml n TRP 46 N -0.67 0.00 -1.60 0.54 4.27 -1.26 -5.02 117.44 113.70 2dml n TRP 46 Ca 0.04 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.43 2dml n TRP 46 Cb 0.02 -0.05 0.15 0.00 -1.36 0.00 0.00 31.31 30.07 2dml n TRP 46 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dml n GLY 48 N -1.50 -0.27 0.27 0.00 0.00 -1.26 -4.11 105.19 98.30 2dml n GLY 48 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2dml n GLY 48 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2dml h HIS 49 N -0.12 0.00 0.06 1.61 -0.00 -1.96 0.67 115.15 115.42 2dml h HIS 49 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 2dml h HIS 49 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2dml h HIS 49 CO -0.05 0.00 -0.82 0.00 -0.00 0.00 0.00 177.93 177.06 2dml h GLN 51 N -0.67 0.00 0.00 0.00 4.20 -1.02 0.26 115.11 117.88 2dml h GLN 51 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2dml h GLN 51 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2dml h GLN 51 CO 0.01 0.00 -0.67 2.89 -0.67 0.00 0.00 178.83 180.39 2dml n ARG 52 N -3.32 0.17 -0.08 1.46 1.85 -1.02 -3.71 116.66 112.01 2dml n ARG 52 Ca -0.02 0.03 0.09 0.00 -1.00 0.00 0.00 57.85 56.95 2dml n ARG 52 Cb 0.16 -1.59 0.35 0.00 -1.05 0.00 0.00 32.46 30.33 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2dml n LEU 53 N -1.82 1.35 0.04 2.89 7.94 0.92 -4.12 117.00 124.21 2dml n LEU 53 Ca 0.04 -0.59 -0.13 0.00 -1.11 0.00 0.00 56.01 54.22 2dml n LEU 53 Cb 0.39 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.16 2dml n LEU 53 CO 0.37 0.30 0.75 0.74 -1.11 0.00 0.00 177.39 178.43 2dml h THR 54 N 1.73 1.10 0.08 1.96 2.02 -1.63 -2.10 112.91 116.07 2dml h THR 54 Ca 0.00 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 2dml h THR 54 Cb 0.38 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2dml h THR 54 CO 0.00 0.12 -0.04 1.55 0.37 0.00 0.00 175.52 177.52 2dml h PRO 55 N -0.28 -0.11 -0.86 6.66 0.13 -1.86 -1.03 132.00 134.64 2dml h PRO 55 Ca -0.01 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 2dml h PRO 55 Cb 0.25 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.30 2dml h PRO 55 CO 0.01 0.34 0.43 0.93 -0.23 0.00 0.00 178.00 179.48 2dml h GLU 56 N -0.60 0.55 0.04 0.86 3.07 -1.76 0.87 114.58 117.61 2dml h GLU 56 Ca -0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2dml h GLU 56 Cb 0.50 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2dml h GLU 56 CO 0.02 0.37 -0.02 2.35 -1.40 0.00 0.00 179.01 180.33 2dml h TRP 57 N 0.57 -0.04 -0.65 4.33 -0.00 -1.40 -0.65 115.95 118.11 2dml h TRP 57 Ca 0.49 -0.00 0.13 0.00 -0.00 0.00 0.00 58.89 59.51 2dml h TRP 57 Cb 0.76 0.01 -0.09 0.00 -0.00 0.00 0.00 29.16 29.84 2dml h TRP 57 CO -0.10 0.54 0.14 0.87 -0.00 0.00 0.00 178.44 179.89 2dml h LYS 58 N -0.67 0.26 -0.27 2.65 1.57 -0.54 -1.67 116.57 117.91 2dml h LYS 58 Ca -0.00 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2dml h LYS 58 Cb 0.60 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.77 2dml h LYS 58 CO 0.01 0.17 -0.31 0.87 -0.57 0.00 0.00 179.45 179.62 2dml h LYS 59 N 0.26 -0.30 -0.74 3.15 1.57 -0.91 0.37 116.57 119.98 2dml h LYS 59 Ca 0.35 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.24 2dml h LYS 59 Cb 0.55 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 2dml h LYS 59 CO -0.44 -0.20 0.49 0.00 -0.57 0.00 0.00 179.45 178.73 2dml h ALA 60 N 0.64 1.79 -0.63 3.86 0.00 -1.33 -1.10 119.26 122.49 2dml h ALA 60 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2dml h ALA 60 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2dml h ALA 60 CO -0.44 0.06 0.15 0.00 0.00 0.00 0.00 179.25 179.03 2dml h ALA 61 N 1.62 1.07 -0.39 0.00 0.00 -0.26 0.27 119.26 121.56 2dml h ALA 61 Ca 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2dml h ALA 61 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2dml h ALA 61 CO -0.12 0.62 0.09 1.15 0.00 0.00 0.00 179.25 180.99 2dml h THR 62 N 0.95 1.23 -0.11 0.00 2.02 0.08 0.82 112.91 117.89 2dml h THR 62 Ca 0.20 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.44 2dml h THR 62 Cb 0.34 0.99 0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2dml h THR 62 CO 0.00 0.27 -0.53 0.00 0.37 0.00 0.00 175.52 175.64 2dml h ALA 63 N 0.94 0.21 -0.25 6.16 0.00 -1.29 -3.10 119.26 121.93 2dml h ALA 63 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2dml h ALA 63 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dml h ALA 63 CO 0.00 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.95 2dml n LEU 64 N -4.20 1.53 -0.21 0.00 4.77 0.93 -4.23 117.00 115.59 2dml n LEU 64 Ca -0.08 -0.73 0.01 0.00 -0.03 0.00 0.00 56.01 55.17 2dml n LEU 64 Cb 0.61 -0.17 0.12 0.00 -2.33 0.00 0.00 43.42 41.65 2dml n LEU 64 CO 0.47 0.37 0.97 0.50 -1.33 0.00 0.00 177.39 178.37 2dml h LYS 65 N 1.76 0.37 -0.55 3.23 3.64 0.75 1.12 116.57 126.88 2dml h LYS 65 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2dml h LYS 65 Cb 0.40 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2dml h LYS 65 CO 0.00 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.17 2dml n ASP 66 N -5.03 5.29 0.08 4.20 8.00 -1.26 -4.58 116.55 123.25 2dml n ASP 66 Ca 0.09 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.76 2dml n ASP 66 Cb 0.30 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 2dml n ASP 66 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dml n VAL 67 N 0.58 0.59 -4.08 2.53 0.31 -0.14 -5.07 118.33 113.06 2dml n VAL 67 Ca 0.26 0.20 -0.28 0.00 -0.01 0.00 0.00 64.34 64.51 2dml n VAL 67 Cb 1.09 -1.04 -0.17 0.00 -0.91 0.00 0.00 33.84 32.82 2dml n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dml s VAL 68 N -1.83 1.30 -0.52 2.52 1.01 0.37 -4.72 120.40 118.53 2dml s VAL 68 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 2dml s VAL 68 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 2dml s VAL 68 CO 0.00 0.41 2.32 -0.54 0.00 0.00 0.00 175.10 177.29 2dml s LYS 69 N 1.45 2.16 -0.52 2.72 -0.14 -0.75 -4.26 119.74 120.39 2dml s LYS 69 Ca 0.02 1.24 -0.18 0.00 -1.36 0.00 0.00 55.97 55.69 2dml s LYS 69 Cb -0.13 -4.57 0.07 0.00 -1.68 0.00 0.00 37.83 31.53 2dml s LYS 69 CO -0.07 -3.25 0.60 0.08 -0.76 0.00 0.00 175.35 171.95 2dml s VAL 70 N 11.84 4.94 0.00 3.17 1.01 -1.26 -0.68 120.40 139.42 2dml s VAL 70 Ca 0.92 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2dml s VAL 70 Cb -0.16 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2dml s VAL 70 CO 0.24 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 175.11 2dml n GLY 71 N 5.21 1.58 3.38 4.51 0.00 -0.50 -2.17 105.19 117.21 2dml n GLY 71 Ca -0.09 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.02 2dml n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml s ALA 72 N -2.59 -2.74 -0.18 4.61 0.00 -0.73 -4.24 121.76 115.89 2dml s ALA 72 Ca 0.00 2.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.96 2dml s ALA 72 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 2dml s ALA 72 CO 0.00 -0.99 -0.11 0.08 0.00 0.00 0.00 175.76 174.74 2dml s VAL 73 N 2.49 2.99 -0.92 0.00 1.01 -1.02 -2.54 120.40 122.41 2dml s VAL 73 Ca -0.02 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 2dml s VAL 73 Cb -0.06 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2dml s VAL 73 CO -0.17 0.48 1.77 0.21 0.00 0.00 0.00 175.10 177.39 2dml s ASN 74 N 1.02 5.60 0.35 3.32 2.47 -1.26 -2.55 114.94 123.89 2dml s ASN 74 Ca -0.01 -0.87 0.17 0.00 0.42 0.00 0.00 52.86 52.57 2dml s ASN 74 Cb -0.15 -2.56 1.18 0.00 -1.45 0.00 0.00 41.25 38.27 2dml s ASN 74 CO -0.02 -2.32 1.62 0.00 -3.72 0.00 0.00 177.10 172.67 2dml h ALA 75 N 10.96 2.00 -0.36 1.71 0.00 -1.06 1.06 119.26 133.57 2dml h ALA 75 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dml h ALA 75 Cb 1.01 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2dml h ALA 75 CO 1.28 -0.74 0.23 0.22 0.00 0.00 0.00 179.25 180.24 2dml h ASP 76 N 0.17 0.43 0.00 0.00 3.58 -1.88 -0.38 116.42 118.33 2dml h ASP 76 Ca 0.78 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 58.19 2dml h ASP 76 Cb 1.89 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 2dml h ASP 76 CO -0.69 0.33 -0.06 0.50 -2.88 0.00 0.00 179.24 176.44 2dml h LYS 77 N 0.48 0.00 -1.87 0.28 3.64 -0.19 -3.35 116.57 115.57 2dml h LYS 77 Ca 0.13 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 2dml h LYS 77 Cb -0.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 2dml h LYS 77 CO -0.03 0.08 0.08 0.72 -2.27 0.00 0.00 179.45 178.04 2dml n HIS 78 N -4.75 0.53 -0.36 1.91 8.25 0.31 -4.59 115.22 116.52 2dml n HIS 78 Ca -0.02 -1.40 0.29 0.00 -0.26 0.00 0.00 57.72 56.33 2dml n HIS 78 Cb 0.07 -0.85 0.55 0.00 1.12 0.00 0.00 29.99 30.88 2dml n HIS 78 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2dml h GLN 79 N 1.56 0.18 -0.20 -0.41 4.20 -1.20 0.40 115.11 119.64 2dml h GLN 79 Ca 0.13 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2dml h GLN 79 Cb 1.03 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 2dml h GLN 79 CO 0.30 0.12 0.01 0.77 -0.67 0.00 0.00 178.83 179.36 2dml h SER 80 N 0.18 -0.05 0.37 1.46 0.02 -1.84 -0.75 113.55 112.95 2dml h SER 80 Ca 0.78 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.76 2dml h SER 80 Cb 2.04 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 64.63 2dml h SER 80 CO -0.59 0.00 -0.31 -0.07 -1.14 0.00 0.00 176.83 174.72 2dml h LEU 81 N 0.08 -0.82 0.27 5.07 3.38 -0.59 0.38 115.31 123.08 2dml h LEU 81 Ca 0.09 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dml h LEU 81 Cb 0.11 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2dml h LEU 81 CO -0.15 -0.46 -0.43 1.23 0.09 0.00 0.00 178.44 178.73 2dml h GLY 82 N -0.69 -1.18 0.68 0.83 0.00 -1.30 -2.87 103.07 98.55 2dml h GLY 82 Ca -0.03 0.58 0.05 0.00 0.00 0.00 0.00 47.33 47.93 2dml h GLY 82 CO -0.02 -0.33 0.21 -1.33 0.00 0.00 0.00 176.54 175.06 2dml h GLY 83 N -0.74 0.63 0.38 4.60 0.00 -1.13 -0.70 103.07 106.12 2dml h GLY 83 Ca -0.03 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.22 2dml h GLY 83 CO -0.14 0.07 0.76 -1.61 0.00 0.00 0.00 176.54 175.61 2dml h GLN 84 N 0.41 0.00 0.00 4.80 4.15 -0.02 0.24 115.11 124.69 2dml h GLN 84 Ca 0.21 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.31 2dml h GLN 84 Cb 0.16 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 2dml h GLN 84 CO -0.17 0.00 -2.20 0.66 -1.93 0.00 0.00 178.83 175.18 2dml n TYR 85 N -2.86 0.00 0.00 3.99 4.02 -0.40 -5.02 117.16 116.90 2dml n TYR 85 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2dml n TYR 85 Cb 0.83 -0.82 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2dml n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dml n GLY 86 N 2.44 0.48 3.64 2.72 0.00 0.84 -5.09 105.19 110.21 2dml n GLY 86 Ca -0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2dml n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dml s VAL 87 N -0.48 4.67 -0.04 1.61 1.01 -0.48 -4.86 120.40 121.83 2dml s VAL 87 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.65 2dml s VAL 87 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2dml s VAL 87 CO 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 175.10 174.80 2dml n GLN 88 N 6.43 1.23 -3.89 2.72 10.64 -1.26 -4.15 117.38 129.10 2dml n GLN 88 Ca 0.09 0.02 -0.19 0.00 -1.83 0.00 0.00 57.00 55.08 2dml n GLN 88 Cb 0.47 -1.10 -0.17 0.00 -0.86 0.00 0.00 30.24 28.59 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dml s GLY 89 N -4.13 0.33 0.34 2.61 0.00 -1.26 -5.15 107.32 100.06 2dml s GLY 89 Ca -0.05 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.77 2dml s GLY 89 CO 0.13 0.82 0.50 -1.36 0.00 0.00 0.00 173.10 173.19 2dml s PHE 90 N 1.40 3.26 0.58 1.90 0.08 -1.26 -4.26 117.98 119.68 2dml s PHE 90 Ca -0.04 -0.00 -0.18 0.00 0.12 0.00 0.00 56.93 56.82 2dml s PHE 90 Cb -0.13 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2dml s PHE 90 CO -0.03 0.03 1.12 -1.25 -0.10 0.00 0.00 175.22 175.00 2dml s PRO 91 N -4.23 3.19 -0.23 0.24 0.04 -1.26 -4.91 135.00 127.83 2dml s PRO 91 Ca 0.43 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 2dml s PRO 91 Cb -0.10 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.54 2dml s PRO 91 CO 0.33 -0.97 0.10 0.99 0.04 0.00 0.00 177.00 177.49 2dml s THR 92 N -1.95 0.04 0.01 1.26 2.01 -0.66 -4.99 115.64 111.36 2dml s THR 92 Ca 0.71 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 2dml s THR 92 Cb -0.23 -0.86 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 2dml s THR 92 CO 0.31 -0.49 0.42 -0.63 -0.69 0.00 0.00 174.62 173.54 2dml s ILE 93 N 2.06 5.01 -0.01 1.82 1.01 -1.26 0.04 121.20 129.87 2dml s ILE 93 Ca 0.05 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.57 2dml s ILE 93 Cb -0.16 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 2dml s ILE 93 CO -0.22 0.56 -0.08 -0.54 0.00 0.00 0.00 174.94 174.66 2dml s LYS 94 N -1.14 0.67 -0.10 2.79 -0.14 0.83 -2.81 119.74 119.84 2dml s LYS 94 Ca 0.25 -0.28 -0.08 0.00 -1.36 0.00 0.00 55.97 54.50 2dml s LYS 94 Cb -0.17 -0.65 -0.04 0.00 -1.68 0.00 0.00 37.83 35.29 2dml s LYS 94 CO 0.14 0.16 0.19 0.42 -0.76 0.00 0.00 175.35 175.50 2dml s ILE 95 N -0.11 5.42 -0.12 2.17 1.01 -0.71 -1.82 121.20 127.04 2dml s ILE 95 Ca 0.02 0.33 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2dml s ILE 95 Cb -0.04 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.98 2dml s ILE 95 CO -0.00 0.61 -0.20 -0.36 0.00 0.00 0.00 174.94 174.99 2dml s PHE 96 N -1.04 2.34 0.00 3.97 0.40 0.86 -1.71 117.98 122.79 2dml s PHE 96 Ca 0.17 -1.09 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 2dml s PHE 96 Cb -0.13 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.79 2dml s PHE 96 CO 0.06 -0.50 0.00 0.41 0.70 0.00 0.00 175.22 175.89 2dml n GLY 97 N 3.97 -1.70 0.22 4.36 0.00 -1.26 -1.14 105.19 109.63 2dml n GLY 97 Ca -0.20 0.66 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml h ALA 98 N 1.90 -0.55 -3.40 4.61 0.00 -1.93 -3.34 119.26 116.56 2dml h ALA 98 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 2dml h ALA 98 Cb 0.00 0.89 -0.38 0.00 0.00 0.00 0.00 17.79 18.30 2dml h ALA 98 CO 0.00 -0.67 -0.61 1.21 0.00 0.00 0.00 179.25 179.19 2dml s ASN 99 N -3.80 4.92 0.67 0.00 2.47 -1.26 -4.94 114.94 112.99 2dml s ASN 99 Ca -0.07 -2.34 0.37 0.00 0.42 0.00 0.00 52.86 51.24 2dml s ASN 99 Cb 0.04 -1.72 2.00 0.00 -1.45 0.00 0.00 41.25 40.11 2dml s ASN 99 CO 0.29 -0.41 2.13 0.11 -3.72 0.00 0.00 177.10 175.50 2dml h LYS 100 N 7.51 0.00 0.00 0.43 1.79 -1.96 0.19 116.57 124.54 2dml h LYS 100 Ca -0.07 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.18 2dml h LYS 100 Cb 1.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 2dml h LYS 100 CO 0.63 0.00 -1.09 -0.91 -1.08 0.00 0.00 179.45 177.00 2dml h ASN 101 N 0.00 0.00 -3.02 0.86 2.35 -1.95 -3.42 115.58 110.40 2dml h ASN 101 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2dml h ASN 101 Cb 0.37 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.34 2dml h ASN 101 CO -0.00 0.93 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.39 2dml s LYS 102 N -2.72 0.72 1.07 0.81 1.02 0.67 -5.09 119.74 116.23 2dml s LYS 102 Ca 0.00 -1.29 -0.14 0.00 0.02 0.00 0.00 55.97 54.56 2dml s LYS 102 Cb 0.09 -1.74 0.22 0.00 -0.52 0.00 0.00 37.83 35.89 2dml s LYS 102 CO 0.81 -1.10 1.10 -1.25 -0.92 0.00 0.00 175.35 173.99 2dml s PRO 103 N 1.23 -0.14 -0.05 -1.68 0.04 -1.21 -4.41 135.00 128.77 2dml s PRO 103 Ca 0.14 0.32 0.02 0.00 0.04 0.00 0.00 61.00 61.51 2dml s PRO 103 Cb -0.21 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2dml s PRO 103 CO -0.13 -3.07 -0.08 -1.83 0.04 0.00 0.00 177.00 171.92 2dml s GLU 104 N -5.09 2.68 0.17 4.56 -1.05 -0.70 -4.90 118.70 114.36 2dml s GLU 104 Ca 0.67 -0.60 -0.34 0.00 -0.15 0.00 0.00 54.97 54.56 2dml s GLU 104 Cb -0.16 -2.54 -0.14 0.00 -0.44 0.00 0.00 34.13 30.85 2dml s GLU 104 CO 0.57 0.65 1.54 -3.47 0.95 0.00 0.00 175.26 175.50 2dml n ASP 105 N 2.13 2.97 -4.54 0.83 -0.08 -1.26 -1.74 116.55 114.86 2dml n ASP 105 Ca -0.17 1.09 -0.41 0.00 -1.51 0.00 0.00 54.79 53.79 2dml n ASP 105 Cb 0.53 -1.41 -0.03 0.00 2.34 0.00 0.00 41.12 42.54 2dml n ASP 105 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2dml s TYR 106 N 0.76 2.41 -0.61 -0.67 6.14 -1.12 -4.85 117.35 119.41 2dml s TYR 106 Ca 0.78 -0.36 -0.02 0.00 0.64 0.00 0.00 57.07 58.10 2dml s TYR 106 Cb -0.69 -4.62 0.30 0.00 0.42 0.00 0.00 41.96 37.37 2dml s TYR 106 CO 0.40 -1.99 2.18 0.94 0.64 0.00 0.00 175.55 177.72 2dml n GLN 107 N 9.03 2.47 -2.97 4.97 -0.06 -1.26 -4.87 117.38 124.70 2dml n GLN 107 Ca 0.12 -2.83 -0.14 0.00 -2.00 0.00 0.00 57.00 52.15 2dml n GLN 107 Cb 0.49 -2.12 -0.02 0.00 -4.06 0.00 0.00 30.24 24.54 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dml n GLY 108 N -0.21 3.38 3.77 1.69 0.00 -1.26 -5.12 105.19 107.45 2dml n GLY 108 Ca 0.51 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 2dml n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dml s GLY 109 N -2.61 2.90 -0.09 -0.02 0.00 -1.26 -4.93 107.32 101.30 2dml s GLY 109 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.36 2dml s GLY 109 CO 0.05 1.04 1.65 0.54 0.00 0.00 0.00 173.10 176.39 2dml n ARG 110 N 0.85 1.24 -4.89 2.90 1.74 -1.26 -3.50 116.66 113.74 2dml n ARG 110 Ca 0.01 -0.50 -0.28 0.00 -0.77 0.00 0.00 57.85 56.31 2dml n ARG 110 Cb 0.49 -1.20 -0.16 0.00 -1.02 0.00 0.00 32.46 30.57 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dml s THR 111 N -0.66 1.54 0.25 0.55 -4.23 -1.26 -4.78 115.64 107.05 2dml s THR 111 Ca 0.10 -0.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.97 2dml s THR 111 Cb 0.08 -1.35 0.26 0.00 1.34 0.00 0.00 72.50 72.83 2dml s THR 111 CO 0.01 0.44 1.09 0.61 -0.54 0.00 0.00 174.62 176.23 2dml n GLY 112 N 3.43 -0.64 0.39 3.99 0.00 -0.25 0.35 105.19 112.47 2dml n GLY 112 Ca -0.20 0.59 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 2dml n GLY 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dml h GLU 113 N 0.00 -0.92 -0.22 1.61 4.11 -1.93 -2.39 114.58 114.83 2dml h GLU 113 Ca 0.54 0.06 0.06 0.00 0.07 0.00 0.00 59.36 60.09 2dml h GLU 113 Cb 1.37 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 2dml h GLU 113 CO -0.57 -0.59 -0.32 0.00 0.07 0.00 0.00 179.01 177.60 2dml h ALA 114 N -1.09 -0.32 -0.69 1.06 0.00 -0.36 -1.52 119.26 116.34 2dml h ALA 114 Ca -0.10 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.01 2dml h ALA 114 Cb 0.75 0.64 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 2dml h ALA 114 CO 0.16 -0.78 0.06 0.82 0.00 0.00 0.00 179.25 179.51 2dml h ILE 115 N -0.35 0.45 -0.99 0.00 2.04 -1.21 0.18 117.51 117.64 2dml h ILE 115 Ca 0.12 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 66.11 2dml h ILE 115 Cb 0.54 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 36.80 2dml h ILE 115 CO -0.41 0.03 0.59 0.58 0.00 0.00 0.00 178.15 178.93 2dml h VAL 116 N 0.16 0.70 -0.08 1.67 2.07 -0.74 0.19 116.25 120.22 2dml h VAL 116 Ca 0.38 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.45 2dml h VAL 116 Cb 0.64 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2dml h VAL 116 CO -0.56 0.14 -0.75 -0.78 0.02 0.00 0.00 177.57 175.64 2dml h ASP 117 N 0.74 0.52 -0.11 0.57 3.58 -0.43 -2.92 116.42 118.37 2dml h ASP 117 Ca 0.57 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 2dml h ASP 117 Cb 0.88 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 2dml h ASP 117 CO -0.39 1.10 -0.01 0.00 -2.88 0.00 0.00 179.24 177.06 2dml h ALA 118 N 0.89 0.15 -0.48 -0.78 0.00 0.51 -1.99 119.26 117.55 2dml h ALA 118 Ca -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2dml h ALA 118 Cb 1.33 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2dml h ALA 118 CO 0.13 -0.15 0.24 0.00 0.00 0.00 0.00 179.25 179.47 2dml h ALA 119 N 0.73 0.61 0.77 0.00 0.00 -0.80 -2.50 119.26 118.08 2dml h ALA 119 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dml h ALA 119 Cb 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dml h ALA 119 CO 0.01 -0.12 -0.37 -0.07 0.00 0.00 0.00 179.25 178.70 2dml h LEU 120 N 0.47 -0.88 -0.90 0.00 3.38 -1.48 0.29 115.31 116.18 2dml h LEU 120 Ca 0.21 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.45 2dml h LEU 120 Cb 0.13 0.23 -0.16 0.00 0.09 0.00 0.00 40.66 40.95 2dml h LEU 120 CO -0.16 -0.63 0.04 -1.28 0.09 0.00 0.00 178.44 176.50 2dml h SER 121 N -1.04 -0.39 -0.04 -0.43 0.87 -1.21 0.10 113.55 111.41 2dml h SER 121 Ca -0.11 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2dml h SER 121 Cb 0.80 0.42 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dml h SER 121 CO 0.17 -0.27 -0.02 0.00 -0.53 0.00 0.00 176.83 176.18 2dml h ALA 122 N 1.87 0.06 -0.61 6.23 0.00 -1.24 -2.62 119.26 122.95 2dml h ALA 122 Ca 0.53 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2dml h ALA 122 Cb 1.04 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2dml h ALA 122 CO -0.81 -0.21 -0.56 1.25 0.00 0.00 0.00 179.25 178.92 2dml h LEU 123 N -0.31 -1.93 -2.17 0.00 7.12 0.14 0.59 115.31 118.75 2dml h LEU 123 Ca 0.01 0.27 -0.00 0.00 0.13 0.00 0.00 57.88 58.28 2dml h LEU 123 Cb 0.44 0.81 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 2dml h LEU 123 CO 0.01 -0.33 -0.02 0.08 -0.13 0.00 0.00 178.44 178.05 2dml h ARG 124 N -0.25 0.00 -0.08 1.25 0.11 -1.40 -2.67 114.38 111.34 2dml h ARG 124 Ca 0.10 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.22 2dml h ARG 124 Cb 0.51 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.55 2dml h ARG 124 CO -0.70 0.02 -0.14 1.03 0.10 0.00 0.00 179.97 180.27 2dml h SER 125 N 0.00 -0.44 -3.33 0.08 0.87 0.57 -3.40 113.55 107.91 2dml h SER 125 Ca -0.00 0.08 -0.56 0.00 -1.23 0.00 0.00 61.79 60.08 2dml h SER 125 Cb 0.04 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2dml h SER 125 CO 0.00 -0.19 0.41 -0.83 -0.53 0.00 0.00 176.83 175.69 2dml s GLY 126 N -2.56 2.51 0.00 5.77 0.00 -0.93 -4.91 107.32 107.20 2dml s GLY 126 Ca -0.14 0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.98 2dml s GLY 126 CO 0.67 1.70 0.91 -1.55 0.00 0.00 0.00 173.10 174.83 2dml n PRO 127 N 4.55 0.48 -0.23 2.90 -0.04 -1.26 -4.20 135.00 137.20 2dml n PRO 127 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2dml n PRO 127 Cb 0.50 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2dml n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 128 N -0.75 -0.48 -3.65 3.54 7.64 -1.26 -4.57 113.62 114.10 2dml n SER 128 Ca 0.06 1.03 -0.14 0.00 1.01 0.00 0.00 58.87 60.83 2dml n SER 128 Cb 0.03 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 2dml n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dml s SER 129 N -5.24 -0.34 0.00 6.43 0.15 -1.26 -5.11 113.70 108.32 2dml s SER 129 Ca -0.08 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dml s SER 129 Cb 0.10 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2dml s SER 129 CO 0.39 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.81